1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine

C18H29NO2 — CID 64746522

IUPAC1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1COC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h6,8,10,12-14,17H,5,7,9,11,19H2,1-4H3
InChIKeyIJRXAAFOYOHCHB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.06
Rot. Bonds5

About 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine

1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine (PubChem CID 64746522) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
PubChem CID64746522
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1COC1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h6,8,10,12-14,17H,5,7,9,11,19H2,1-4H3
InChIKeyIJRXAAFOYOHCHB-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
CID 64673614
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine (CID 64746522) is 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine is COc1ccc(C(C)N)cc1COC1CCC(C)C(C)C1.
What is the InChIKey of 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine?
The InChIKey is IJRXAAFOYOHCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h6,8,10,12-14,17H,5,7,9,11,19H2,1-4H3.
What are the key properties of 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine?
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 64746522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).